SCHEMBL8436768

SCHEMBL8436768

CN1CCC[C@H]1COc1cncc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.77
CHRNA3 P32297 8/20 0.77
CHRNB4 P30926 7/20 0.77
CHRNB1 P11230 6/20 0.77
CHRNB3 Q05901 6/20 0.77
CHRNA4 P43681 5/20 0.69

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8438179 1.00 CHRNB2 (0.77) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL7411001 0.99 CHRNB2 (0.76) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL7454381 0.99 CHRNB2 (0.76) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6581934 0.87 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL13354151 0.86 CHRNB2 (0.73) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL6583146 0.86 CHRNB1 (1.00) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL6585166 0.86 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL8851524 0.85 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL7410877 0.83 CHRNB2 (0.74) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3
SCHEMBL8440528 0.82 CHRNB2 (0.76) CHRNB2CHRNA3CHRNB4CHRNB1CHRNB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US claimed
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed